Prediction of new stable crystal structures for ternary ErAgTe2

Crystal structures of trigonal (R3).

Ternary Borides Cr2AlB2, Cr3AlB4, and Cr4AlB6: The First Members of the Series (CrB2)nCrAl with n = 1, 2, 3 and a Unifying Concept for Ternary Borides as MAB-Phases

Crystal structure prediction – Tuckerman Research Group

Electronic band structure for (a) In 2 Ge 2 Te 6 , (b) InGeTe 3 , (c)

colour online) The crystal structure view of TiAsTe.

Crystal structure prediction at finite temperatures

Discovery of hexagonal ternary phase Ti2InB2 and its evolution to layered boride TiB

Exploring the impact of van der Waals-corrected exchange-correlation functional on the physical properties of layered GeSe compound - ScienceDirect

Reliable crystal structure predictions from first principles